| CAS Number | 1173022-95-1 |
| Catalog Number | AG009MP2(AGN-PC-0WAGGY) |
| Chemical Name | Creatinine-13C |
| IUPAC Name | 2-amino-3-(113C)methyl-4H-imidazol-5-one |
| InChI | InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/i1+1 |
| InChI Key | DDRJAANPRJIHGJ-OUBTZVSYSA-N |
| MDL Number | MFCD01321402 |
| Molecular Formula | C4H7N3O |
| Molecular Weight | 114.1105 |
| SMILES | NC1=NC(=O)CN1[13CH3] |
| Synonyms | Creatinine-(methyl-13C),
1173022-95-1,
CTK8F8806,
DTXSID40583928,
4-Amidinosarcosine-(methyl-13C),
Creatinine-(methyl-13C), 99 atom % 13C,
J-003590,
2-Amino-1-(~13~C)methyl-1,5-dihydro-4H-imidazol-4-one,
2-amino-3-methyl-4H-imidazol-5-one,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 1 |
| Molecular Weight | 114.112g/mol |
| Monoisotopic Mass | 114.062g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number